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Although it is possible to obtain stable structures for the reaction of Ta [N (CH3) 2] 5, successive structures along a pathway are very different due to the several rotations of ligands within this sterically crowded compound. The search for transition states for Ta using SQTN is not feasible in these conditions; other methods may be used, but these are beyond the aim of this investigation. The similarity of the barriers for the reactions under investigation for the other alkylamido precursors indicate that Ta [N (CH3) 2] 5 may follow a similar energy landscape.
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Although it is possible to obtain stable structures for the reaction of Ta [N (CH3) 2] 5, successive structures along a pathway are very different due to the several rotations of ligands within this sterically crowded compound. The search for transition states for Ta using SQTN is not feasible in these conditions; other methods may be used, but these are beyond the aim of this investigation. The similarity of the barriers for the reactions under investigation for the other alkylamido precursors indicate that Ta [N (CH3) 2] 5 may follow a similar energy landscape.
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